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2004-11-04 21:56 tim |
2 |
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|
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* src/: brains/SimCreator.cpp, brains/SimCreator.hpp, |
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primitives/Molecule.hpp: Pain...... |
5 |
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|
6 |
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2004-11-04 15:55 tim |
7 |
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|
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* ChangeLog, make/Makefile.in, src/brains/SimCreator.cpp, |
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src/brains/SimCreator.hpp, src/brains/SimInfo.hpp, |
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src/brains/Stats.hpp: time to break SimSetup |
11 |
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|
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2004-11-04 15:51 gezelter |
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|
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* src/UseTheForce/: ForceField.cpp, ForceField.hpp: added new |
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classes in progress |
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|
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2004-11-04 14:48 tim |
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|
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* src/brains/Stats.cpp: file Stats.cpp was initially added on |
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branch new_design. |
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|
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2004-11-04 14:48 tim |
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|
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* src/brains/Stats.hpp: file Stats.hpp was initially added on |
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branch new_design. |
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|
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2004-11-04 14:48 tim |
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|
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* src/brains/: SimInfo.cpp, SimInfo.hpp, SimModel.cpp, |
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SimModel.hpp, Snapshot.hpp, Stats.cpp, Stats.hpp: adding Stats |
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class |
32 |
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|
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2004-11-04 11:22 gezelter |
34 |
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|
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* src/primitives/: DirectionalAtom.cpp, DirectionalAtom.hpp, |
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RigidBody.hpp, StuntDouble.cpp, StuntDouble.hpp: isLinear and |
37 |
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linearAxis are virtual in StuntDouble, but are implemented by |
38 |
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DirectionalAtom and RigidBody In StuntDouble, they should return |
39 |
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false and "-1" but there should be logic to figure them out in the |
40 |
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other two classes |
41 |
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|
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2004-11-04 11:20 gezelter |
43 |
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|
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* src/: brains/ForceFields.cpp, integrators/Integrator.cpp: Don't |
45 |
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remember what I did |
46 |
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|
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2004-11-04 11:20 gezelter |
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|
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* src/UseTheForce/DarkSide/shapes.F90: Breaky Breaky |
50 |
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|
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2004-11-04 11:20 gezelter |
52 |
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|
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* src/UseTheForce/: DUFF.cpp, WATER.cpp, doForces.F90: fixed useXXX |
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in the entry_plug so that it only is set if the atoms really are in |
55 |
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the simulation |
56 |
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|
57 |
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2004-11-04 11:20 gezelter |
58 |
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|
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* samples/water/ssd/ssd.md: testing force fields |
60 |
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|
61 |
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2004-11-04 11:19 gezelter |
62 |
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|
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* samples/shape/linear.in: testing shapes |
64 |
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|
65 |
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2004-11-03 14:56 tim |
66 |
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|
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* src/brains/: SimCreator.cpp, SimCreator.hpp: Adding SimCreator |
68 |
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class(similar as SimSetup) |
69 |
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|
70 |
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2004-11-03 14:56 tim |
71 |
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|
72 |
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* src/brains/SimCreator.hpp: file SimCreator.hpp was initially |
73 |
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added on branch new_design. |
74 |
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|
75 |
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2004-11-03 14:56 tim |
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|
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* src/brains/SimCreator.cpp: file SimCreator.cpp was initially |
78 |
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added on branch new_design. |
79 |
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|
80 |
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2004-11-03 13:00 tim |
81 |
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|
82 |
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* src/: UseTheForce/DUFF.cpp, UseTheForce/EAM_FF.cpp, |
83 |
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UseTheForce/ForceFields.cpp, UseTheForce/LJFF.cpp, |
84 |
+ |
UseTheForce/Shapes_FF.cpp, UseTheForce/WATER.cpp, |
85 |
+ |
brains/DataStorage.hpp, primitives/Atom.hpp, |
86 |
+ |
primitives/DirectionalAtom.hpp, restraints/Restraints.hpp, |
87 |
+ |
visitors/BaseVisitor.hpp, visitors/ZconsVisitor.cpp: ForceFiled get |
88 |
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compiled. Still a long way to go ...... |
89 |
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|
90 |
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2004-11-03 11:08 tim |
91 |
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|
92 |
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* ChangeLog, src/brains/SimInfo.cpp, src/brains/SimInfo.hpp, |
93 |
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src/constraints/ZConstraint.cpp, src/integrators/NPT.cpp, |
94 |
+ |
src/integrators/NPTf.cpp, src/integrators/NPTi.cpp, |
95 |
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src/integrators/NPTxyz.cpp, src/integrators/NVT.cpp, |
96 |
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src/io/ZConsReader.cpp, src/primitives/Bend.cpp, |
97 |
+ |
src/primitives/Bond.cpp, src/primitives/GhostBend.cpp, |
98 |
+ |
src/primitives/Molecule.cpp, src/primitives/Molecule.hpp, |
99 |
+ |
src/primitives/SRI.hpp, src/primitives/StuntDouble.cpp, |
100 |
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src/primitives/StuntDouble.hpp, src/primitives/Torsion.cpp, |
101 |
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src/utils/GenericData.hpp, src/visitors/AtomVisitor.cpp, |
102 |
+ |
src/visitors/OtherVisitor.cpp, src/visitors/RigidBodyVisitor.cpp, |
103 |
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src/visitors/ZconsVisitor.cpp, test/utils/Makefile: mess up ...... |
104 |
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|
105 |
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2004-11-02 17:41 tim |
106 |
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|
107 |
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* src/: brains/Migrator.hpp, brains/SimModel.cpp, |
108 |
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utils/LocalndexManager.hpp: Adding LocalIndexManager and Migrator. |
109 |
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Need unit test |
110 |
+ |
|
111 |
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2004-11-02 17:41 tim |
112 |
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|
113 |
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* src/utils/LocalndexManager.hpp: file LocalndexManager.hpp was |
114 |
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initially added on branch new_design. |
115 |
+ |
|
116 |
+ |
2004-11-02 17:41 tim |
117 |
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|
118 |
+ |
* src/brains/Migrator.hpp: file Migrator.hpp was initially added on |
119 |
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branch new_design. |
120 |
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|
121 |
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2004-11-02 11:59 tim |
122 |
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|
123 |
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* src/brains/SimModel.cpp: file SimModel.cpp was initially added on |
1230 |
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|
1231 |
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2004-09-29 12:56 gezelter |
1232 |
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|
1233 |
< |
* make/: Make.conf.in, Makefile.in: Working on make stuff |
1233 |
> |
* make/: Make.conf.in, Makefile.in, _files/style.css: Working on |
1234 |
> |
make stuff |
1235 |
|
|
1236 |
|
2004-09-29 12:46 tim |
1237 |
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|
1497 |
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src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp, |
1498 |
|
src/visitors/RigidBodyVisitor.cpp, |
1499 |
|
src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp, |
1500 |
< |
src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in, |
1500 |
> |
src/visitors/ZconsVisitor.hpp, make/Makefile, |
1501 |
> |
make/_files/style.css, samples/Makefile.in, |
1502 |
|
samples/metals/Au-Core-Ag-Shell_Nanoparticle.in, |
1503 |
|
samples/metals/Au-Core-Ag-Shell_Nanoparticle.md, |
1504 |
|
samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md, |
1673 |
|
src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp, |
1674 |
|
src/visitors/RigidBodyVisitor.cpp, |
1675 |
|
src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp, |
1676 |
< |
src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in, |
1676 |
> |
src/visitors/ZconsVisitor.hpp, make/Makefile, |
1677 |
> |
make/_files/style.css, samples/Makefile.in, |
1678 |
|
samples/metals/Au-Core-Ag-Shell_Nanoparticle.in, |
1679 |
|
samples/metals/Au-Core-Ag-Shell_Nanoparticle.md, |
1680 |
|
samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md, |